3mwu

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{{STRUCTURE_3mwu| PDB=3mwu | SCENE= }}
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==Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95==
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===Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95===
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<StructureSection load='3mwu' size='340' side='right' caption='[[3mwu]], [[Resolution|resolution]] 1.98&Aring;' scene=''>
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{{ABSTRACT_PUBMED_21116453}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3mwu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryptosporidium_parvum Cryptosporidium parvum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MWU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3MWU FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BK3:3-(NAPHTHALEN-1-YLMETHYL)-1-(PIPERIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE'>BK3</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3ncg|3ncg]], [[3n51|3n51]], [[3i79|3i79]], [[3i7b|3i7b]], [[3i7c|3i7c]], [[3igo|3igo]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CDPK1, cgd3_920 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5807 Cryptosporidium parvum])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3mwu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mwu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3mwu RCSB], [http://www.ebi.ac.uk/pdbsum/3mwu PDBsum]</span></td></tr>
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</table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/mw/3mwu_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The protozoans Cryptosporidium parvum and Toxoplasma gondii are parasites of major health concern to humans. Both parasites contain a group of calcium-dependent protein kinases (CDPKs), which are found in plants and ciliates but not in humans or fungi. Here we describe a series of potent inhibitors that target CDPK1 in C. parvum (CpCDPK1) and T. gondii (TgCDPK1). These inhibitors are highly selective for CpCDPK1 and TgCDPK1 over the mammalian kinases SRC and ABL. Furthermore, they are able to block an early stage of C. parvum invasion of HCT-8 host cells, which is similar to their effects on T. gondii invasion of human fibroblasts.
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==About this Structure==
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Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.,Murphy RC, Ojo KK, Larson ET, Castellanos-Gonzalez A, Perera BG, Keyloun KR, Kim JE, Bhandari JG, Muller NR, Verlinde CL, White AC, Merritt EA, Van Voorhis WC, Maly DJ ACS Med Chem Lett. 2010 Oct 14;1(7):331-335. PMID:21116453<ref>PMID:21116453</ref>
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[[3mwu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryptosporidium_parvum Cryptosporidium parvum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MWU OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<ref group="xtra">PMID:021116453</ref><ref group="xtra">PMID:020436472</ref><references group="xtra"/><references/>
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</div>
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==See Also==
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*[[Calcium-dependent protein kinase|Calcium-dependent protein kinase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Calcium/calmodulin-dependent protein kinase]]
[[Category: Calcium/calmodulin-dependent protein kinase]]
[[Category: Cryptosporidium parvum]]
[[Category: Cryptosporidium parvum]]
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[[Category: Larson, E T.]]
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[[Category: Larson, E T]]
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[[Category: Merritt, E A.]]
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[[Category: Merritt, E A]]
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[[Category: Protozoa, Medical Structural Genomics of Pathogenic.]]
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[[Category: Structural genomic]]
[[Category: Atp-binding]]
[[Category: Atp-binding]]
[[Category: Bki]]
[[Category: Bki]]
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[[Category: Calcium-binding]]
[[Category: Calcium-binding]]
[[Category: Calmodulin]]
[[Category: Calmodulin]]
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[[Category: Medical structural genomics of pathogenic protozoa]]
 
[[Category: Msgpp]]
[[Category: Msgpp]]
[[Category: Serine/threonine protein kinase]]
[[Category: Serine/threonine protein kinase]]
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[[Category: Structural genomic]]
 
[[Category: Transferase]]
[[Category: Transferase]]
[[Category: Transferase-transferase inhibitor complex]]
[[Category: Transferase-transferase inhibitor complex]]

Revision as of 15:39, 18 December 2014

Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95

3mwu, resolution 1.98Å

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